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Computational Chemistry Using the PC, Third Edition takes the
reader from a basic mathematical foundation to beginning
research-level calculations, avoiding expensive or elaborate
software in favor of PC applications. Geared towards an advanced
undergraduate or introductory graduate course, this Third Edition
has revised and expanded coverage of molecular mechanics, molecular
orbital theory, molecular quantum chemistry, and semi-empirical and
ab initio molecular orbital approaches.
With significant changes made to adjust for improved technology and
increased computer literacy, Computational Chemistry Using the PC,
Third Edition gives its readers the tools they need to translate
theoretical principles into real computational problems, then
proceed to a computed solution. Students of computational
chemistry, as well as professionals interested in updating their
skills in this fast-moving field, will find this book to be an
invaluable resource.
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